⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8745551 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL8745555 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL5661385 | 0.65 | — | — | |
| SCHEMBL8926382 | 0.65 | — | — | |
| SCHEMBL5663661 | 0.65 | — | — | |
| SCHEMBL80704 | 0.65 | — | — | |
| SCHEMBL5661383 | 0.65 | — | — | |
| SCHEMBL12990382 | 0.65 | — | — | |
| SCHEMBL823138 | 0.65 | — | — | |
| SCHEMBL17440261 | 0.60 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0376072-B1 | Fungicidal and herbicidal agents and substituted 2-cyclohexen-1-yl amine derivatives, and their preparation | BAYER AG (DE) | 1994-02-16 | — | — | EP | disclosed |
| EP-0478941-A1 | Pharmaceuticals containing substituted cyclohex-2-en-1-yl-amine derivatives and their use in combatting diseases | BAYER AG (DE) | 1992-04-08 | — | — | EP | disclosed |
| EP-0376072-A2 | Fungicidal and herbicidal agents and substituted 2-cyclohexen-1-yl amine derivatives, and their preparation | BAYER AG (DE) | 1990-07-04 | — | — | EP | disclosed |